5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole

C12H10BrF3N2O — CID 116861952

IUPAC5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(Br)cc1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C12H10BrF3N2O/c1-18-9(6-11(17-18)12(14,15)16)8-5-7(13)3-4-10(8)19-2/h3-6H,1-2H3
InChIKeyDZNBQPDBSZVCSL-UHFFFAOYSA-N
MW335.12 g/mol
LogP3.88
Rot. Bonds2

About 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole

5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 116861952) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID116861952
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(Br)cc1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C12H10BrF3N2O/c1-18-9(6-11(17-18)12(14,15)16)8-5-7(13)3-4-10(8)19-2/h3-6H,1-2H3
InChIKeyDZNBQPDBSZVCSL-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 155293864
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626168
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
5-(5-bromo-2-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095064
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide
CID 58487164
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
3-(5-bromo-2-methoxyphenyl)-5-(chloromethyl)-4-propyl-1,2,4-triazole
CID 112742100
2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 155402428

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 116861952) is 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole is COc1ccc(Br)cc1-c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DZNBQPDBSZVCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c1-18-9(6-11(17-18)12(14,15)16)8-5-7(13)3-4-10(8)19-2/h3-6H,1-2H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 335.12 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116861952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).